2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide

C24H20N2O5S — CID 24802467

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27)
InChIKeyDISNVJMPXSMFTM-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.71
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide (PubChem CID 24802467) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
PubChem CID24802467
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27)
InChIKeyDISNVJMPXSMFTM-UHFFFAOYSA-N
XLogP2.71
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylpropanamide
CID 1194511
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 3313078
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2791502
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide (CID 24802467) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide is Cc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The InChIKey is DISNVJMPXSMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide has a molecular weight of 448.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide is sourced from PubChem (CID 24802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).